2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-4-oxo-3-(phenylmethyl)-N-propyl-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-[(2,5-dimethylbenzyl)thio]-4-keto-N-propyl-quinazoline-7-carboxamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC(=C3)C)C)CC4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC(=C3)C)C)CC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2S/c1-4-14-29-26(32)22-12-13-24-25(16-22)30-28(34-18-23-15-19(2)10-11-20(23)3)31(27(24)33)17-21-8-6-5-7-9-21/h5-13,15-16H,4,14,17-18H2,1-3H3,(H,29,32)